input word = C00013829

Metabolite InformationStructural formula
Name Herbacetin 3-rhamnoside-8-glucoside
3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-8-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C27H30O16
Mw 610.15338491
CAS RN 194609-62-6
C_ID C00013829 ,
InChIKey ZBCIMVCVGORQFA-DRRLHLQTNA-N
InChICode InChI=1S/C27H30O16/c1-8-15(32)18(35)20(37)26(39-8)43-25-17(34)14-11(30)6-12(31)23(24(14)41-22(25)9-2-4-10(29)5-3-9)42-27-21(38)19(36)16(33)13(7-28)40-27/h2-6,8,13,15-16,18-21,26-33,35-38H,7H2,1H3/t8-,13+,15-,16+,18+,19-,20-,21+,26-,27-/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)c(cc(c2O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEphedraceaeEphedra aphylla Ref.
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OrganismEphedra aphylla
ReferenceHussein,Phytochem.,45,(1997),1529